1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone

C21H18F4N6O — CID 89365452

IUPAC1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESNc1cnccc1-c1nc(N2CCN(C(=O)C(F)(F)F)CC2)cnc1-c1ccc(F)cc1
InChIInChI=1S/C21H18F4N6O/c22-14-3-1-13(2-4-14)18-19(15-5-6-27-11-16(15)26)29-17(12-28-18)30-7-9-31(10-8-30)20(32)21(23,24)25/h1-6,11-12H,7-10,26H2
InChIKeyNYFPLEGQSFXSHD-UHFFFAOYSA-N
MW446.41 g/mol
LogP3.14
Rot. Bonds3

About 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 89365452) has the molecular formula C21H18F4N6O and a molecular weight of 446.41 g/mol. Its IUPAC name is 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID89365452
Molecular FormulaC21H18F4N6O
Molecular Weight446.41 g/mol
Exact Mass446.15
IUPAC Name1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESNc1cnccc1-c1nc(N2CCN(C(=O)C(F)(F)F)CC2)cnc1-c1ccc(F)cc1
InChIInChI=1S/C21H18F4N6O/c22-14-3-1-13(2-4-14)18-19(15-5-6-27-11-16(15)26)29-17(12-28-18)30-7-9-31(10-8-30)20(32)21(23,24)25/h1-6,11-12H,7-10,26H2
InChIKeyNYFPLEGQSFXSHD-UHFFFAOYSA-N
XLogP3.14
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

Darovasertib
CID 118873253
Wnt-974
CID 46926973
Jnj-17203212
CID 11339118
Asp-5854
CID 24810000
Las-101057
CID 16071896
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
Gnf6231
CID 46927297
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
Pyrazine-Pyridine Biheteroaryl 11
CID 5330359
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone (CID 89365452) is 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone is Nc1cnccc1-c1nc(N2CCN(C(=O)C(F)(F)F)CC2)cnc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is NYFPLEGQSFXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O/c22-14-3-1-13(2-4-14)18-19(15-5-6-27-11-16(15)26)29-17(12-28-18)30-7-9-31(10-8-30)20(32)21(23,24)25/h1-6,11-12H,7-10,26H2.
What are the key properties of 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 446.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 89365452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).